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88531-00-4 | 2-Pyridinecarboxamide, N,N-bis(2-chloroethyl)-
CAS No: 88531-00-4 Catalog No: AG0046OI MDL No:
Product Description
Catalog Number:
AG0046OI
Chemical Name:
2-Pyridinecarboxamide, N,N-bis(2-chloroethyl)-
CAS Number:
88531-00-4
Molecular Formula:
C10H12Cl2N2O
Molecular Weight:
247.1211
IUPAC Name:
N,N-bis(2-chloroethyl)pyridine-2-carboxamide
InChI:
InChI=1S/C10H12Cl2N2O/c11-4-7-14(8-5-12)10(15)9-3-1-2-6-13-9/h1-3,6H,4-5,7-8H2
InChI Key:
UDMDRZNVQLZUAM-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)c1ccccn1)CCCl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.119g/mol
Monoisotopic Mass:
246.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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